deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide

C120H120F16N30O15 — CID 159251786

IUPACdeuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(C3=CNNN3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(C3=CNNN3C)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cn(C)nn3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cnn(C)n3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cnnn3C)CC(F)(F)C1)CCC2.[2H]CF
InChIInChI=1S/C24H23F3N6O3.C24H25F3N6O3.2C24H23F3N6O3.C23H23F3N6O3.CH3F/c1-13-18(21(35)28-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)29-23(11-24(26,27)12-23)17-10-32(2)31-30-17;2*1-13-18(21(35)29-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)30-23(11-24(26,27)12-23)17-10-28-31-32(17)2;1-13-18(21(35)29-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)30-23(11-24(26,27)12-23)17-10-28-32(2)31-17;1-12-17(20(34)28-14-6-4-13(24)5-7-14)15-3-2-8-32(15)18(12)19(33)21(35)29-22(10-23(25,26)11-22)16-9-27-31-30-16;1-2/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,28,35)(H,29,36);5-8,10,28,31H,3-4,9,11-12H2,1-2H3,(H,29,35)(H,30,36);2*5-8,10H,3-4,9,11-12H2,1-2H3,(H,29,35)(H,30,36);4-7,9,27,30-31H,2-3,8,10-11H2,1H3,(H,28,34)(H,29,35);1H3/i;;;;;1D
InChIKeyKVJRVYAETMNZQR-WTMQMJMGSA-N
MW2527.45 g/mol
LogP13.70
Rot. Bonds30

About deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide

deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide (PubChem CID 159251786) has the molecular formula C120H120F16N30O15 and a molecular weight of 2527.45 g/mol. Its IUPAC name is deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound Namedeuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
PubChem CID159251786
Molecular FormulaC120H120F16N30O15
Molecular Weight2527.45 g/mol
Exact Mass2525.94
IUPAC Namedeuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(C3=CNNN3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(C3=CNNN3C)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cn(C)nn3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cnn(C)n3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cnnn3C)CC(F)(F)C1)CCC2.[2H]CF
InChIInChI=1S/C24H23F3N6O3.C24H25F3N6O3.2C24H23F3N6O3.C23H23F3N6O3.CH3F/c1-13-18(21(35)28-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)29-23(11-24(26,27)12-23)17-10-32(2)31-30-17;2*1-13-18(21(35)29-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)30-23(11-24(26,27)12-23)17-10-28-31-32(17)2;1-13-18(21(35)29-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)30-23(11-24(26,27)12-23)17-10-28-32(2)31-17;1-12-17(20(34)28-14-6-4-13(24)5-7-14)15-3-2-8-32(15)18(12)19(33)21(35)29-22(10-23(25,26)11-22)16-9-27-31-30-16;1-2/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,28,35)(H,29,36);5-8,10,28,31H,3-4,9,11-12H2,1-2H3,(H,29,35)(H,30,36);2*5-8,10H,3-4,9,11-12H2,1-2H3,(H,29,35)(H,30,36);4-7,9,27,30-31H,2-3,8,10-11H2,1H3,(H,28,34)(H,29,35);1H3/i;;;;;1D
InChIKeyKVJRVYAETMNZQR-WTMQMJMGSA-N
XLogP13.70
TPSA556.52 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002527.45
LogP ≤ 513.70
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The IUPAC name of deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide (CID 159251786) is deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide.
What is the SMILES notation for deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The canonical SMILES for deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(C3=CNNN3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(C3=CNNN3C)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cn(C)nn3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cnn(C)n3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cnnn3C)CC(F)(F)C1)CCC2.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The InChIKey is KVJRVYAETMNZQR-WTMQMJMGSA-N. The full InChI is InChI=1S/C24H23F3N6O3.C24H25F3N6O3.2C24H23F3N6O3.C23H23F3N6O3.CH3F/c1-13-18(21(35)28-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)29-23(11-24(26,27)12-23)17-10-32(2)31-30-17;2*1-13-18(21(35)29-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)30-23(11-24(26,27)12-23)17-10-28-31-32(17)2;1-13-18(21(35)29-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)30-23(11-24(26,27)12-23)17-10-28-32(2)31-17;1-12-17(20(34)28-14-6-4-13(24)5-7-14)15-3-2-8-32(15)18(12)19(33)21(35)29-22(10-23(25,26)11-22)16-9-27-31-30-16;1-2/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,28,35)(H,29,36);5-8,10,28,31H,3-4,9,11-12H2,1-2H3,(H,29,35)(H,30,36);2*5-8,10H,3-4,9,11-12H2,1-2H3,(H,29,35)(H,30,36);4-7,9,27,30-31H,2-3,8,10-11H2,1H3,(H,28,34)(H,29,35);1H3/i;;;;;1D.
What are the key properties of deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide has a molecular weight of 2527.45 g/mol, XLogP of 13.70, 30 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-1,2-dihydrotriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(3-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[1-(2,3-dihydro-1H-triazol-4-yl)-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 159251786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).